3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid
TL;DR: 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid (CAS 688763-38-4) is a chemical compound with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
Also Known As: 3-{[(tert-butoxy)carbonyl]amino}-5-(4-chlorophenyl)thiophene-2-carboxylic acid, 3-TERT-BUTOXYCARBONYLAMINO-5-(4-CHLOROPHENYL)THIOPHENE-2-CARBOXYLIC ACID, 5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic Acid, 3-tert-Butoxycarbonylamino-5-(4-chloro-phenyl)-thiophene-2-carboxylic acid, 3-((tert-Butoxycarbonyl)amino)-5-(4-chlorophenyl)thiophene-2-carboxylic acid
| Molecular Formula | C16H16ClNO4S |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 5.1137 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.04886 |
| Heavy Atoms | 23 |
| Complexity | 731.52875 |
Chemical Identifiers
| CAS Number | 688763-38-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(SC(=C1)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid (CAS 688763-38-4), with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol. IUPAC: 5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.
Chemical Property Profile of 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid
Property Insights of 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid
The XLogP value of 5.1137 indicates that 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid?
The CAS number of 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid is 688763-38-4.
What is the molecular formula of 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid?
The molecular formula of 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid is C16H16ClNO4S.
What is the molecular weight of 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid?
The molecular weight of 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid is 353.05 g/mol.
Where can I buy 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid?
You can request a quote for 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butoxycarbonylamino-5-(4-chlorophenyl)thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.